methyl 4-cyclohexylthiophene-3-carboxylate

C12H16O2S — CID 114748233

IUPACmethyl 4-cyclohexylthiophene-3-carboxylate
SMILESCOC(=O)c1cscc1C1CCCCC1
InChIInChI=1S/C12H16O2S/c1-14-12(13)11-8-15-7-10(11)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyKFULTUKZQVNUDS-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.58
Rot. Bonds2

About methyl 4-cyclohexylthiophene-3-carboxylate

methyl 4-cyclohexylthiophene-3-carboxylate (PubChem CID 114748233) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is methyl 4-cyclohexylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclohexylthiophene-3-carboxylate
PubChem CID114748233
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Namemethyl 4-cyclohexylthiophene-3-carboxylate
SMILESCOC(=O)c1cscc1C1CCCCC1
InChIInChI=1S/C12H16O2S/c1-14-12(13)11-8-15-7-10(11)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyKFULTUKZQVNUDS-UHFFFAOYSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl thiophene-3,4-dicarboxylate
CID 58401193
3,4-dicyclopentylthiophene
CID 21200052
methyl 2-amino-4-cyclopentylthiophene-3-carboxylate
CID 62633873
dimethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-4,5-dicarboxylate
CID 13411242
methyl 4-cycloheptyl-2-methylbenzoate
CID 135331828
methyl 4-cyclohexyl-3-methylbenzoate
CID 126540400
ethane;methyl 4-aminothiophene-3-carboxylate
CID 143551713
3-O-ethyl 4-O-methyl 2-cyclopentylthiophene-3,4-dicarboxylate
CID 134608459
methyl 5-cyclohexyl-1,2-oxazole-3-carboxylate
CID 154791565
methyl 2-cyclohexyloxybenzoate
CID 11345342
2-(4-methoxycarbonylthiophen-3-yl)acetic acid
CID 138046216
methyl 4-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]thiophene-3-carboxylate;hydrochloride
CID 70062887

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclohexylthiophene-3-carboxylate?
The IUPAC name of methyl 4-cyclohexylthiophene-3-carboxylate (CID 114748233) is methyl 4-cyclohexylthiophene-3-carboxylate.
What is the SMILES notation for methyl 4-cyclohexylthiophene-3-carboxylate?
The canonical SMILES for methyl 4-cyclohexylthiophene-3-carboxylate is COC(=O)c1cscc1C1CCCCC1.
What is the InChIKey of methyl 4-cyclohexylthiophene-3-carboxylate?
The InChIKey is KFULTUKZQVNUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-14-12(13)11-8-15-7-10(11)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3.
What are the key properties of methyl 4-cyclohexylthiophene-3-carboxylate?
methyl 4-cyclohexylthiophene-3-carboxylate has a molecular weight of 224.32 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclohexylthiophene-3-carboxylate is sourced from PubChem (CID 114748233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).